59253447 -OEChem-05092421272D 121123 0 1 0 0 0 0 0999 V2000 5.4641 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3925 2.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6972 -1.5274 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0201 2.8991 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4380 2.8276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4701 0.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.9915 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3317 1.6121 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9564 1.6954 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5097 0.5295 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8213 -0.7575 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0656 3.4200 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9915 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4489 -0.1651 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0917 0.6009 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 6.7909 -1.1048 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7497 1.5406 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1482 -1.8708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7649 1.7143 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1634 -1.6972 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5981 -0.4915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.0765 0.4273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6972 -0.6822 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3773 2.1330 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 9.7041 1.0197 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5981 -1.4915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7320 -1.9915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7193 1.1933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3469 1.7857 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8365 -0.5838 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1373 1.1219 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -1.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4945 0.3558 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8213 -0.7575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0049 2.7254 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 2.8660 -0.4915 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.7952 2.0616 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.4229 2.6540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1069 0.7746 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5206 -2.4632 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5304 0.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4432 -1.6644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0436 0.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 2.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7844 -2.5236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6477 3.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.0085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.4915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4684 3.1749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4098 0.7189 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0504 -0.6401 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4902 1.0759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5376 2.1232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9362 -2.4534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6852 -2.1808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1823 1.5022 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3754 -2.2798 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9688 -0.1833 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6871 0.3196 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1842 1.0379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9593 -1.2441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2592 -0.4202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4352 -0.1203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9787 1.6581 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -2.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1087 1.0857 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7193 0.5733 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7454 2.2607 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -0.5838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2554 -1.3838 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6540 -2.0741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0960 -0.1191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7928 3.3080 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.1285 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5832 2.6442 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 0.5625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3190 0.1920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6895 0.9866 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 -2.0647 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 -2.9382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9955 -2.8618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9199 0.1425 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4228 -0.5757 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1410 -0.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8606 -1.4524 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2311 -2.2471 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0258 -1.8765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7816 0.1373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6055 0.4372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3056 1.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1999 2.1276 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8104 1.6152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8384 -3.1413 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 8.4020 -2.4696 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 7.1668 -2.5777 0.0000 H 1 0 0 0 0 0 0 0 0 0 0 0 11.1226 3.0929 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0462 3.9664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1727 3.8900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 0.5455 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.3185 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -0.5284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7302 2.0870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 2.3131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2976 1.1121 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5560 -2.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1760 -4.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2881 -4.0284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.8015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9081 -2.9545 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0510 3.3870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2564 3.7575 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8858 2.9629 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6219 0.1363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9924 0.9310 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1978 1.3015 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15 1 1 6 0 0 0 22 1 1 1 0 0 0 18 2 1 1 0 0 0 25 2 1 1 0 0 0 17 3 1 6 0 0 0 3 46 1 0 0 0 0 4 22 1 0 0 0 0 4 37 1 0 0 0 0 5 25 1 0 0 0 0 5 36 1 0 0 0 0 6 38 1 0 0 0 0 6 39 1 0 0 0 0 26 7 1 1 0 0 0 7 52 1 0 0 0 0 27 8 1 6 0 0 0 8106 1 0 0 0 0 30 9 1 1 0 0 0 9107 1 0 0 0 0 32 10 1 1 0 0 0 10108 1 0 0 0 0 34 11 1 1 0 0 0 11109 1 0 0 0 0 12 35 2 0 0 0 0 13 39 2 0 0 0 0 28 14 1 1 0 0 0 14 49 1 0 0 0 0 14 50 1 0 0 0 0 15 16 1 0 0 0 0 15 17 1 0 0 0 0 15 53 1 0 0 0 0 16 18 1 0 0 0 0 16 23 1 6 0 0 0 16 54 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 20 1 0 0 0 0 18 55 1 0 0 0 0 19 21 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 1 0 0 0 20 58 1 0 0 0 0 21 35 1 0 0 0 0 21 41 1 1 0 0 0 21 59 1 0 0 0 0 22 27 1 0 0 0 0 22 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 23 63 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 24 66 1 0 0 0 0 25 29 1 0 0 0 0 25 67 1 0 0 0 0 26 29 1 0 0 0 0 26 30 1 0 0 0 0 26 42 1 0 0 0 0 27 28 1 0 0 0 0 27 68 1 0 0 0 0 28 33 1 0 0 0 0 28 69 1 0 0 0 0 29 70 1 0 0 0 0 29 71 1 0 0 0 0 30 36 1 0 0 0 0 30 72 1 0 0 0 0 31 34 1 0 0 0 0 31 35 1 0 0 0 0 31 43 1 6 0 0 0 31 73 1 0 0 0 0 32 34 1 0 0 0 0 32 38 1 0 0 0 0 32 44 1 0 0 0 0 33 37 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 34 76 1 0 0 0 0 36 47 1 6 0 0 0 36 77 1 0 0 0 0 37 48 1 1 0 0 0 37 78 1 0 0 0 0 38 45 1 1 0 0 0 38 79 1 0 0 0 0 40 80 1 0 0 0 0 40 81 1 0 0 0 0 40 82 1 0 0 0 0 41 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 42 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 44 92 1 0 0 0 0 44 93 1 0 0 0 0 44 94 1 0 0 0 0 45 51 1 0 0 0 0 45 95 1 0 0 0 0 45 96 1 0 0 0 0 46 97 1 0 0 0 0 46 98 1 0 0 0 0 46 99 1 0 0 0 0 47100 1 0 0 0 0 47101 1 0 0 0 0 47102 1 0 0 0 0 48103 1 0 0 0 0 48104 1 0 0 0 0 48105 1 0 0 0 0 49110 1 0 0 0 0 49111 1 0 0 0 0 49112 1 0 0 0 0 50113 1 0 0 0 0 50114 1 0 0 0 0 50115 1 0 0 0 0 51116 1 0 0 0 0 51117 1 0 0 0 0 51118 1 0 0 0 0 52119 1 0 0 0 0 52120 1 0 0 0 0 52121 1 0 0 0 0 M ISO 3 97 2 98 2 99 2 M END > 59253447 > 1 > 1190 > 14 > 4 > 8 > AAADcfB+PAAAAAAAAAAAAAAAAAAAAAAAAAAkSAAAAAAAAAAAAAAAHgAACAAADXzxgAcCCAMABgAIAICQCAAAAAAAAAAAAAEIAAATEBYAgAAmQAAHIAAXAAHK7PzOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA== > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-2-oxanyl]oxy]-14-ethyl-12,13-dihydroxy-4-[[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-2-oxanyl]oxy]-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyloxan-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyloxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-6-methyl-3-oxidanyl-oxan-2-yl]oxy-14-ethyl-4-[(2S,4S,5R,6R)-4-methoxy-4,6-dimethyl-5-oxidanyl-oxan-2-yl]oxy-3,5,7,9,11,13-hexamethyl-12,13-bis(oxidanyl)-7-(trideuteriomethoxy)-1-oxacyclotetradecane-2,10-dione > (3R,4S,5S,6R,7R,9R,11R,12R,13S,14R)-6-[(2S,3R,4S,6R)-4-(dimethylamino)-3-hydroxy-6-methyl-tetrahydropyran-2-yl]oxy-14-ethyl-12,13-dihydroxy-4-[(2S,4S,5R,6R)-5-hydroxy-4-methoxy-4,6-dimethyl-tetrahydropyran-2-yl]oxy-3,5,7,9,11,13-hexamethyl-7-(trideuteriomethoxy)-oxacyclotetradecane-2,10-quinone > InChI=1S/C38H69NO13/c1-15-26-38(10,45)31(42)21(4)28(40)19(2)17-37(9,47-14)33(52-35-29(41)25(39(11)12)16-20(3)48-35)22(5)30(23(6)34(44)50-26)51-27-18-36(8,46-13)32(43)24(7)49-27/h19-27,29-33,35,41-43,45H,15-18H2,1-14H3/t19-,20-,21+,22+,23-,24-,25+,26-,27-,29-,30+,31-,32-,33-,35+,36+,37-,38-/m1/s1/i14D3 > AGOYDEPGAOXOCK-OHTOTEKJSA-N > 3.2 > 750.49572149 > C38H69NO13 > 751.0 > CCC1C(C(C(C(=O)C(CC(C(C(C(C(C(=O)O1)C)OC2CC(C(C(O2)C)O)(C)OC)C)OC3C(C(CC(O3)C)N(C)C)O)(C)OC)C)C)O)(C)O > [2H]C([2H])([2H])O[C@@]1(C[C@H](C(=O)[C@@H]([C@H]([C@]([C@H](OC(=O)[C@@H]([C@H]([C@@H]([C@H]1O[C@H]2[C@@H]([C@H](C[C@H](O2)C)N(C)C)O)C)O[C@@H]3C[C@]([C@@H]([C@H](O3)C)O)(C)OC)C)CC)(C)O)O)C)C)C > 183 > 750.49572149 > 0 > 52 > 18 > 0 > 0 > 0 > 3 > 1 > -1 > 1 5 255 > 15 1 6 22 1 5 32 10 5 34 11 5 28 14 5 16 23 6 18 2 5 25 2 5 20 40 5 21 41 5 17 3 6 31 43 6 36 47 6 37 48 5 38 45 5 26 7 5 27 8 6 30 9 5 $$$$